Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7612416

CC(C)(C)c1ccc(OP(O)Oc2ccc(C(C)(C)C)cc2C(C)(C)C)c(C(C)(C)C)c1.Cl

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 known ✓ P00918 1/20 0.38
GAA known ✓ P10253 2/20 0.35
APEX1 P27695 1/20 0.39
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
ALOX15 P16050 2/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CA1 P00915 1/20 0.38
CA9 Q16790 1/20 0.38
MAPT P10636 2/20 0.36
CYP2C19 P33261 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
MEN1 O00255 1/20 0.35
PKM P14618 1/20 0.35
RECQL P46063 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 2/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29878455 0.98 ALDH1A1 (0.39) APEX1ALDH1A1HPGDALOX15HSD17B10
SCHEMBL295242 0.98 ALDH1A1 (0.39) APEX1ALDH1A1HPGDALOX15HSD17B10
Fluoromethane SCHEMBL9701259 0.95 APEX1 (0.38) APEX1ALDH1A1HPGDALOX15HSD17B10
SCHEMBL27854618 0.90 APEX1 (0.36) APEX1ALDH1A1HPGDALOX15HSD17B10
SCHEMBL27889522 0.90 APEX1 (0.41) APEX1ALDH1A1HPGDALOX15HSD17B10
SCHEMBL11267743 0.90 TSHR (0.38) APEX1ALDH1A1HPGDALOX15HSD17B10
Hydrochloric Acid SCHEMBL28673778 0.89 APEX1 (0.39) APEX1ALDH1A1HPGDALOX15HSD17B10
Hydrochloric Acid SCHEMBL8824604 0.89 APEX1 (0.39) APEX1ALDH1A1HPGDALOX15HSD17B10
Hydrochloric Acid SCHEMBL8824609 0.89 APEX1 (0.39) APEX1ALDH1A1HPGDALOX15HSD17B10
SCHEMBL5073842 0.89 TRPV1 (0.37) APEX1ALDH1A1HPGDALOX15HSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2221290-A None JP disclosed
US-6437164-B1 REACTING BIPHENYL AND PHOSPHORUS TRICHLORIDE IN PRESENCE OF ALUMINUM CHLORIDE, ADDING PYRIDINE, RESULTING DICHLOROPHOSPHINE IS REACTED WITH A PHENOL, REMOVING FORMED PYRIDINE-ALUMINUM CHLORIDE COMPLEX YOSHITOMI FINE CHEMICALS, LTD. (JP) 2002-08-20 US disclosed
EP-1142898-A1 PROCESS FOR THE PREPARATION OF PHOSPHONITE COMPOUNDS Yoshitomi Fine Chemicals, Ltd. (JP) 2001-10-10 EP disclosed
JP-H02221290-A ORGANIC PHOSPHORUS DERIVATIVE OF 2,4-DI-TERT-BUTYLPHENOL, PRODUCTION OF ORGANIC PHOSPHORUS DERIVATIVE OF 4,4-DIHALOMAGNESIUM COMPOUND OF BIPHENYL AND USE OF THE ORGANIC PHOSPHORUS DERIVATIVE IN STABILIZATION OF PLASTIC, ESPECIALLY, POLYOLEFIN MOLDING COMPOSITION HOECHST AG 1990-09-04 JP disclosed